4-(4-tert-butylphenyl)sulfanyl-6-[(4-chlorophenyl)sulfonylmethyl]-2-methyl-pyrimidine

Systemtic Name: 4-(4-tert-butylphenyl)sulfanyl-6-[(4-chlorophenyl)sulfonylmethyl]-2-methyl-pyrimidine Openeye Name: 4-(4-tert-butylphenyl)sulfanyl-6-[(4-chlorophenyl)sulfonylmethyl]-2-methyl-pyrimidine CAS Name: 4-[(4-tert-butylphenyl)thio]-6-[(4-chlorophenyl)sulfonylmethyl]-2-methylpyrimidine IUPAC Name: 4-(4-tert-butylphenyl)sulfanyl-6-[(4-chlorophenyl)sulfonylmethyl]-2-methylpyrimidine Traditional Name: 4-[(4-tert-butylphenyl)thio]-6-[(4-chlorophenyl)sulfonylmethyl]-2-methyl-pyrimidine Formula: C22H23ClN2O2S2 MolecularWeight: 447.01322

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NC(=CC(=N1)SC2=CC=C(C=C2)C(C)(C)C)CS(=O)(=O)C3=CC=C(C=C3)Cl

Isomeric SMILES

CC1=NC(=CC(=N1)SC2=CC=C(C=C2)C(C)(C)C)CS(=O)(=O)C3=CC=C(C=C3)Cl

InChI

InChI=1S/C22H23ClN2O2S2/c1-15-24-18(14-29(26,27)20-11-7-17(23)8-12-20)13-21(25-15)28-19-9-5-16(6-10-19)22(2,3)4/h5-13H,14H2,1-4H3